蚜虫报警信息素类似物的结构与生物活性关系

The structure-activity relationship of aphid alarm pheromone analogues

利用AccuModel和PowerFit软件比较了蚜虫报警信息素 [反 ] β 法尼烯 (EBF)的氟取代类似物与EBF的结构相似性 ,并对非EBF系列物结构活性关系进行了研究。结果发现对于一氟取代化合物来说 ,在分子骨架两端进行取代修饰 ,所得化合物EBF0 4 ,EBF0 5 ,EBF12与EBF结构最相似 ;非EBF系列化合物的扭转角 (H2 5 C4 C5 C1和C5 C6 C7 C8)

The structures of mono-fluoro analogues of (E)-β-farnesene (EBF), the main component of the aphid alarm pheromone of many aphid species, were compared with EBF using AccuModel and PowerFit software. The structures of EBF04, EBF05 and EBF12 with the lowest fitting energy are more similar to EBF. The lowest energy structures of eleven analogues of non-farnesene were also studied. The results indicated that the direction of the numerical value of torsion angle, especially H25-C4-C5-C1 and C5-C6-C7-C8, plays an important role in the compounds activity of alarm pheromone.